3-Hydroxypyridine-2-carboxaldehyde

Base Information

• Chemical Name: 3-Hydroxypyridine-2-carboxaldehyde
• CAS No.: 1849-55-4
• Molecular Formula: C6H5NO2
• Molecular Weight: 123.111
• Hs Code.: 2933399090
• European Community (EC) Number: 674-305-8
• DSSTox Substance ID: DTXSID30371997
• Nikkaji Number: J1.963.064A
• Wikidata: Q72481568
• Mol file: 1849-55-4.mol

Synonyms:3-Hydroxypyridine-2-carboxaldehyde;1849-55-4;3-Hydroxypyridine-2-carbaldehyde;3-hydroxypicolinaldehyde;2-Formyl-3-hydroxypyridine;2-Pyridinecarboxaldehyde, 3-hydroxy-;3-hydroxy-pyridine-2-carbaldehyde;MFCD06245505;3-hydroxy-2-pyridinecarboxaldehyde;3-Hydroxypyridin-2-aldehyd;3-hydroxy-2-pyridine aldehyde;SCHEMBL2082592;DTXSID30371997;3-hydroxy-2-pyridine carbaldehyde;ICDSWZBXIZCMHR-UHFFFAOYSA-N;3-hydroxy pyridine 2-carboxaldehyde;AMY31181;BCP27103;AKOS000275385;AC-1518;CS-W004442;PB12355;PS-3045;SY019646;A4092;FT-0633880;3-Hydroxy-2-pyridinecarbaldehyde, AldrichCPR;EN300-113454;P10349;J-011854;F1957-0037;Z1201623419

Chemical Property of 3-Hydroxypyridine-2-carboxaldehyde

Chemical Property:

• Vapor Pressure: 0.00106mmHg at 25°C
• Melting Point: 80-82 °C
• Refractive Index: 1.629
• Boiling Point: 292.3 °C at 760 mmHg
• PKA: pK1:3.40(＋1);pK2:6.95(OH)(20°C)
• Flash Point: 130.6 °C
• PSA: 50.19000
• Density: 1.327 g/cm³
• LogP: 0.59970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 123.032028402
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

99.0% ^*data from raw suppliers

3-Hydroxypyridine-2-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)C=O)O

Technology Process of 3-Hydroxypyridine-2-carboxaldehyde

There total 2 articles about 3-Hydroxypyridine-2-carboxaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

3-hydroxy-2-hydroxymethylpyridine (14047-53-1) → 2-Formyl-3-hydroxypyridin (1849-55-4)

Guidance literature:

With manganese(IV) oxide; In 1,2-dichloro-ethane; at 20 ℃; for 24h;

DOI:10.1016/0223-5234(88)90168-7

Reference yield: 62.0%

→ 2-Formyl-3-hydroxypyridin (1849-55-4)

Guidance literature:

With manganese(IV) oxide;

DOI:10.1002/hlca.200690187

Reference yield: 95.0%

2-Formyl-3-hydroxypyridin (1849-55-4) + (R)-1-phenylpropylamine (3789-59-1) + bis (2-phenylpyridine-N,C3) bis (acetonitrile-N) iridium(III)hexafluorophosphate → C37H31IrN4O

Guidance literature:

In chloroform; at 20 ℃; for 0.5h;

DOI:10.1016/j.ica.2018.07.010

upstream raw materials:

3-hydroxy-2-hydroxymethylpyridine

Downstream raw materials:

3-methoxy-pyridine-2-carbaldehyde

3-hydroxy-pyridine-2-carbaldehyde-(2,4-dinitro-phenylhydrazone); hydrochloride

(E)-3-hydroxy-2-pyridinecarboxylate oxime

3-hydroxypyridine-2-carboxylic acid